(2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide

C11H16N4O2 — CID 70512604

IUPAC(2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide
SMILESC[C@H](N)C(=O)NCC(=O)N(N)c1ccccc1
InChIInChI=1S/C11H16N4O2/c1-8(12)11(17)14-7-10(16)15(13)9-5-3-2-4-6-9/h2-6,8H,7,12-13H2,1H3,(H,14,17)/t8-/m0/s1
InChIKeyKNHSTPFYYGBMTG-QMMMGPOBSA-N
MW236.28 g/mol
LogP-0.64
Rot. Bonds4

About (2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide

(2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide (PubChem CID 70512604) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide
PubChem CID70512604
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name(2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide
SMILESC[C@H](N)C(=O)NCC(=O)N(N)c1ccccc1
InChIInChI=1S/C11H16N4O2/c1-8(12)11(17)14-7-10(16)15(13)9-5-3-2-4-6-9/h2-6,8H,7,12-13H2,1H3,(H,14,17)/t8-/m0/s1
InChIKeyKNHSTPFYYGBMTG-QMMMGPOBSA-N
XLogP-0.64
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylpropanehydrazide
CID 18522904
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]propanamide
CID 103795937
2-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241
(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309731
N-[2-(N-methylanilino)-2-oxoethyl]-2,2-diphenylacetamide
CID 112996260
2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 18235515
2-hydroxy-1-N-phenylpropanedihydrazide
CID 54413641
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
(2R)-2-amino-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 120872754
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide (CID 70512604) is (2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide is C[C@H](N)C(=O)NCC(=O)N(N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide?
The InChIKey is KNHSTPFYYGBMTG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8(12)11(17)14-7-10(16)15(13)9-5-3-2-4-6-9/h2-6,8H,7,12-13H2,1H3,(H,14,17)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide?
(2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide has a molecular weight of 236.28 g/mol, XLogP of -0.64, 4 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-(N-aminoanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 70512604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).