(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide

C8H15N3O3 — CID 156587966

IUPAC(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide
SMILESC[C@H](NC(=O)CN)C(=O)N[C@@H](C)C=O
InChIInChI=1S/C8H15N3O3/c1-5(4-12)10-8(14)6(2)11-7(13)3-9/h4-6H,3,9H2,1-2H3,(H,10,14)(H,11,13)/t5-,6-/m0/s1
InChIKeyBUDMQVIJNMYPOM-WDSKDSINSA-N
MW201.23 g/mol
LogP-1.85
Rot. Bonds5

About (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide

(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide (PubChem CID 156587966) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide
PubChem CID156587966
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide
SMILESC[C@H](NC(=O)CN)C(=O)N[C@@H](C)C=O
InChIInChI=1S/C8H15N3O3/c1-5(4-12)10-8(14)6(2)11-7(13)3-9/h4-6H,3,9H2,1-2H3,(H,10,14)(H,11,13)/t5-,6-/m0/s1
InChIKeyBUDMQVIJNMYPOM-WDSKDSINSA-N
XLogP-1.85
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 143591672
2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide
CID 11949429
(2R)-2-[[(2R)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoic acid
CID 44968172
2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide
CID 163702587
2-acetamido-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]propanamide
CID 173042911
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxy-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 25203952
2-[2-[(2-aminoacetyl)amino]propanoylamino]-3-sulfanylpropanoic acid
CID 18220896
2-amino-N-(1-oxo-1-phosphanylpropan-2-yl)acetamide
CID 135272524
(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 138857478
ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide
CID 142449079
methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate
CID 54222962
(4R)-5-amino-4-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-oxopentanoic acid
CID 18647841

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide (CID 156587966) is (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide is C[C@H](NC(=O)CN)C(=O)N[C@@H](C)C=O.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide?
The InChIKey is BUDMQVIJNMYPOM-WDSKDSINSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-5(4-12)10-8(14)6(2)11-7(13)3-9/h4-6H,3,9H2,1-2H3,(H,10,14)(H,11,13)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide?
(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide has a molecular weight of 201.23 g/mol, XLogP of -1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 156587966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).