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

C8H15N3O3 — CID 155057842

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

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

(2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide (PubChem CID 155057842) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide
PubChem CID155057842
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide
SMILESC[C@H](N)C(=O)NCC(=O)N[C@@H](C)C=O
InChIInChI=1S/C8H15N3O3/c1-5(4-12)11-7(13)3-10-8(14)6(2)9/h4-6H,3,9H2,1-2H3,(H,10,14)(H,11,13)/t5-,6-/m0/s1
InChIKeyHHRLUSSZCHBRDD-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-(2-aminopropanoylamino)acetyl]amino]butanedioic acid
CID 18218381
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide
CID 173443479
2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid
CID 22152590
2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid
CID 18235518
2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]butanedioic acid
CID 18235506
2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid;hydrate
CID 86146096
(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]pentanedioic acid
CID 145453586
acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
CID 88648065
(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]butanediamide
CID 121005801
2-[2-[[2-[[2-[2-(2-aminopropanoylamino)propanoylamino]acetyl]amino]acetyl]amino]propanoylamino]propanoic acid
CID 22008190
4-amino-2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 18235505
2-[[2-[[2-(2-aminopropanoylamino)-3-sulfanylpropanoyl]amino]acetyl]amino]-3-sulfanylpropanoic acid
CID 18234318

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide (CID 155057842) is (2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide is C[C@H](N)C(=O)NCC(=O)N[C@@H](C)C=O.
What is the InChIKey of (2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide?
The InChIKey is HHRLUSSZCHBRDD-WDSKDSINSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-5(4-12)11-7(13)3-10-8(14)6(2)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-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide?
(2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]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-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide is sourced from PubChem (CID 155057842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).