(2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide

C7H15N3O4 — CID 153393689

IUPAC(2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@H](CO)C(N)=O
InChIInChI=1S/C7H15N3O4/c1-3(12)5(8)7(14)10-4(2-11)6(9)13/h3-5,11-12H,2,8H2,1H3,(H2,9,13)(H,10,14)/t3-,4-,5+/m1/s1
InChIKeyPZPBEOCJCMPOGR-WDCZJNDASA-N
MW205.21 g/mol
LogP-3.34
Rot. Bonds5

About (2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide

(2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide (PubChem CID 153393689) has the molecular formula C7H15N3O4 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide
PubChem CID153393689
Molecular FormulaC7H15N3O4
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC Name(2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@H](CO)C(N)=O
InChIInChI=1S/C7H15N3O4/c1-3(12)5(8)7(14)10-4(2-11)6(9)13/h3-5,11-12H,2,8H2,1H3,(H2,9,13)(H,10,14)/t3-,4-,5+/m1/s1
InChIKeyPZPBEOCJCMPOGR-WDCZJNDASA-N
XLogP-3.34
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-3.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide with MolForge

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Related Compounds

(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 145458197
(2S)-2-[[(2S)-2-[[(2R)-2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 87620003
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]propanoic acid
CID 18751384
2-[[4-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-4-oxobutanoyl]amino]-3-hydroxypropanoic acid
CID 18224226
(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
CID 134827077
4-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 18751126
2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoic acid
CID 18224466
2-[[5-amino-2-[[5-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
CID 18747627
(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide
CID 138624808
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 18751284
2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]acetic acid
CID 18745403
4-[(2-amino-3-hydroxybutanoyl)amino]-5-[(1-carboxy-2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 18224284

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide?
The IUPAC name of (2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide (CID 153393689) is (2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide.
What is the SMILES notation for (2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide?
The canonical SMILES for (2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide is C[C@@H](O)[C@H](N)C(=O)N[C@H](CO)C(N)=O.
What is the InChIKey of (2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide?
The InChIKey is PZPBEOCJCMPOGR-WDCZJNDASA-N. The full InChI is InChI=1S/C7H15N3O4/c1-3(12)5(8)7(14)10-4(2-11)6(9)13/h3-5,11-12H,2,8H2,1H3,(H2,9,13)(H,10,14)/t3-,4-,5+/m1/s1.
What are the key properties of (2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide?
(2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide has a molecular weight of 205.21 g/mol, XLogP of -3.34, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxybutanamide is sourced from PubChem (CID 153393689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).