(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid

C12H21N3O4 — CID 61160975

IUPAC(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)CC1CCNCC1)C(=O)O
InChIInChI=1S/C12H21N3O4/c13-10(16)2-1-9(12(18)19)15-11(17)7-8-3-5-14-6-4-8/h8-9,14H,1-7H2,(H2,13,16)(H,15,17)(H,18,19)/t9-/m0/s1
InChIKeyREMOZQZEXQKSSC-VIFPVBQESA-N
MW271.32 g/mol
LogP-0.79
Rot. Bonds7

About (2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid

(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid (PubChem CID 61160975) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
PubChem CID61160975
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)CC1CCNCC1)C(=O)O
InChIInChI=1S/C12H21N3O4/c13-10(16)2-1-9(12(18)19)15-11(17)7-8-3-5-14-6-4-8/h8-9,14H,1-7H2,(H2,13,16)(H,15,17)(H,18,19)/t9-/m0/s1
InChIKeyREMOZQZEXQKSSC-VIFPVBQESA-N
XLogP-0.79
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 82786150
3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 61157563
(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114006040
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
5-amino-2-[[methyl(piperidin-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 61408490
(2S)-5-amino-2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-5-oxopentanoic acid
CID 80517993
(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
CID 62676165
(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
CID 80750139
5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid
CID 61156701
(2R)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid
CID 107830054
(2S)-5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-oxopentanoic acid
CID 61143196

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid (CID 61160975) is (2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid is NC(=O)CC[C@H](NC(=O)CC1CCNCC1)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid?
The InChIKey is REMOZQZEXQKSSC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O4/c13-10(16)2-1-9(12(18)19)15-11(17)7-8-3-5-14-6-4-8/h8-9,14H,1-7H2,(H2,13,16)(H,15,17)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid?
(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid has a molecular weight of 271.32 g/mol, XLogP of -0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 61160975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).