(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide

C7H13N3O2S — CID 139308987

IUPAC(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide
SMILESC=C(S)[C@H](NC(=O)[C@@H](C)N)C(N)=O
InChIInChI=1S/C7H13N3O2S/c1-3(8)7(12)10-5(4(2)13)6(9)11/h3,5,13H,2,8H2,1H3,(H2,9,11)(H,10,12)/t3-,5+/m1/s1
InChIKeyRDZONDTYKAKEEL-WUJLRWPWSA-N
MW203.27 g/mol
LogP-1.25
Rot. Bonds4

About (2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide

(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide (PubChem CID 139308987) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide
PubChem CID139308987
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide
SMILESC=C(S)[C@H](NC(=O)[C@@H](C)N)C(N)=O
InChIInChI=1S/C7H13N3O2S/c1-3(8)7(12)10-5(4(2)13)6(9)11/h3,5,13H,2,8H2,1H3,(H2,9,11)(H,10,12)/t3-,5+/m1/s1
InChIKeyRDZONDTYKAKEEL-WUJLRWPWSA-N
XLogP-1.25
TPSA98.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide with MolForge

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Related Compounds

(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
2-(2-aminopropanoylamino)-3-methylbutanamide
CID 22282408
2-(2-bromopropanoylamino)propanediamide
CID 139929169
2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide
CID 119320423
N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide
CID 163972321
methyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulfanylpropanoate
CID 91978262
N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide
CID 176992458
2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964
(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide
CID 131850934
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)propanamide
CID 103794874

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide?
The IUPAC name of (2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide (CID 139308987) is (2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide.
What is the SMILES notation for (2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide?
The canonical SMILES for (2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide is C=C(S)[C@H](NC(=O)[C@@H](C)N)C(N)=O.
What is the InChIKey of (2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide?
The InChIKey is RDZONDTYKAKEEL-WUJLRWPWSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-3(8)7(12)10-5(4(2)13)6(9)11/h3,5,13H,2,8H2,1H3,(H2,9,11)(H,10,12)/t3-,5+/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide?
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide has a molecular weight of 203.27 g/mol, XLogP of -1.25, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylbut-3-enamide is sourced from PubChem (CID 139308987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).