2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid

C11H17N3O5 — CID 175264542

IUPAC2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid
SMILESCC(C)[C@H](N)C(=O)Nc1cc(O)n(CC(=O)O)c1O
InChIInChI=1S/C11H17N3O5/c1-5(2)9(12)10(18)13-6-3-7(15)14(11(6)19)4-8(16)17/h3,5,9,15,19H,4,12H2,1-2H3,(H,13,18)(H,16,17)/t9-/m0/s1
InChIKeyKZOPIURDTOYNEE-VIFPVBQESA-N
MW271.27 g/mol
LogP-0.09
Rot. Bonds5

About 2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid

2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid (PubChem CID 175264542) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid
PubChem CID175264542
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid
SMILESCC(C)[C@H](N)C(=O)Nc1cc(O)n(CC(=O)O)c1O
InChIInChI=1S/C11H17N3O5/c1-5(2)9(12)10(18)13-6-3-7(15)14(11(6)19)4-8(16)17/h3,5,9,15,19H,4,12H2,1-2H3,(H,13,18)(H,16,17)/t9-/m0/s1
InChIKeyKZOPIURDTOYNEE-VIFPVBQESA-N
XLogP-0.09
TPSA137.81 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide
CID 91065552
2-[[(3-acetamido-2,5-dihydroxypyrrol-1-yl)methyl-ethoxyphosphoryl]methyl]-4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]pentanamide
CID 53755858
(3-acetamido-2,5-dihydroxypyrrol-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid
CID 54460483
2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid
CID 54545046
Methyl 2-(butan-2-ylamino)-4-[[5-[3-(butan-2-ylamino)-2,5-dihydroxypyrrol-1-yl]-4-methylpentyl]amino]-4-oxobutanoate
CID 90725969
N-(1-butyl-2,5-dihydroxypyrrol-3-yl)-N-propylacetamide
CID 90757996
2-[4-(1-Carboxyethoxy)-3-[2,5-dihydroxy-3-(2-hydroxypropanoylamino)pyrrol-1-yl]-4-oxobutanoyl]oxypropanoic acid
CID 90801671
3-[2,5-Dihydroxy-3-(methylamino)pyrrol-1-yl]hexane-2,5-dione
CID 90873962
1-Butan-2-yl-3-(methylamino)pyrrole-2,5-diol
CID 90917943
1-(2,2-Dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol
CID 90945220
N-(2,5-dihydroxy-1-methylpyrrol-3-yl)acetamide
CID 90961011
1-Methyl-3-(methylamino)pyrrole-2,5-diol
CID 90961945

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid (CID 175264542) is 2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid is CC(C)[C@H](N)C(=O)Nc1cc(O)n(CC(=O)O)c1O.
What is the InChIKey of 2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid?
The InChIKey is KZOPIURDTOYNEE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O5/c1-5(2)9(12)10(18)13-6-3-7(15)14(11(6)19)4-8(16)17/h3,5,9,15,19H,4,12H2,1-2H3,(H,13,18)(H,16,17)/t9-/m0/s1.
What are the key properties of 2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid?
2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid has a molecular weight of 271.27 g/mol, XLogP of -0.09, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,5-dihydroxypyrrol-1-yl]acetic acid is sourced from PubChem (CID 175264542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).