(4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid

C19H27N5O4 — CID 110158455

IUPAC(4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid
SMILESCN(CC1(O)CCN(c2nccn3cccc23)CC1)C(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C19H27N5O4/c1-22(18(27)14(20)4-5-16(25)26)13-19(28)6-10-24(11-7-19)17-15-3-2-9-23(15)12-8-21-17/h2-3,8-9,12,14,28H,4-7,10-11,13,20H2,1H3,(H,25,26)/t14-/m0/s1
InChIKeyVMTVFKYXMUUPNG-AWEZNQCLSA-N
MW389.46 g/mol
LogP0.32
Rot. Bonds7

About (4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid

(4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid (PubChem CID 110158455) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is (4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid
PubChem CID110158455
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name(4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid
SMILESCN(CC1(O)CCN(c2nccn3cccc23)CC1)C(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C19H27N5O4/c1-22(18(27)14(20)4-5-16(25)26)13-19(28)6-10-24(11-7-19)17-15-3-2-9-23(15)12-8-21-17/h2-3,8-9,12,14,28H,4-7,10-11,13,20H2,1H3,(H,25,26)/t14-/m0/s1
InChIKeyVMTVFKYXMUUPNG-AWEZNQCLSA-N
XLogP0.32
TPSA124.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

2-{[(Tert-butoxy)carbonyl]amino}-3-{imidazo[1,2-a]pyridin-3-yl}propanoic acid
CID 170881727
methyl 3-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
CID 101410656
4-[(2-(Imidazo[1,2-a]pyridin-2-yl)ethyl)carbamoyl]butanoic acid
CID 91718678
3-Methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid
CID 134973559
5-Amino-2-[[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]-5-oxopentanoic acid
CID 84386489
8-(3-Imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56889744
1-[6-[2-[Acetyl(methyl)amino]pyrrol-1-yl]-3-amino-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 67431123
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-(2-pyridin-2-ylethyl)imidazol-4-yl]propanoic acid
CID 68811797
(2S)-2-amino-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-5-oxopentanoic acid;dihydrochloride
CID 69683994
(2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 69684743
3-(1-Benzylimidazol-4-yl)-2-[(1-pyridin-3-ylpiperidine-4-carbonyl)amino]propanoic acid
CID 69813232
methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 90712526

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid (CID 110158455) is (4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid is CN(CC1(O)CCN(c2nccn3cccc23)CC1)C(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid?
The InChIKey is VMTVFKYXMUUPNG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-22(18(27)14(20)4-5-16(25)26)13-19(28)6-10-24(11-7-19)17-15-3-2-9-23(15)12-8-21-17/h2-3,8-9,12,14,28H,4-7,10-11,13,20H2,1H3,(H,25,26)/t14-/m0/s1.
What are the key properties of (4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid?
(4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid has a molecular weight of 389.46 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 110158455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).