N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide

C9H19N5O5 — CID 126634892

IUPACN-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide
SMILESCC(NC(=O)C(CO)NC(=O)C(CO)NN)C(N)=O
InChIInChI=1S/C9H19N5O5/c1-4(7(10)17)12-8(18)5(2-15)13-9(19)6(3-16)14-11/h4-6,14-16H,2-3,11H2,1H3,(H2,10,17)(H,12,18)(H,13,19)
InChIKeyAWTPRPICQYTCER-UHFFFAOYSA-N
MW277.28 g/mol
LogP-4.72
Rot. Bonds8

About N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide

N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide (PubChem CID 126634892) has the molecular formula C9H19N5O5 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide
PubChem CID126634892
Molecular FormulaC9H19N5O5
Molecular Weight277.28 g/mol
Exact Mass277.14
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide
SMILESCC(NC(=O)C(CO)NC(=O)C(CO)NN)C(N)=O
InChIInChI=1S/C9H19N5O5/c1-4(7(10)17)12-8(18)5(2-15)13-9(19)6(3-16)14-11/h4-6,14-16H,2-3,11H2,1H3,(H2,10,17)(H,12,18)(H,13,19)
InChIKeyAWTPRPICQYTCER-UHFFFAOYSA-N
XLogP-4.72
TPSA179.80 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.28
LogP ≤ 5-4.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide
CID 163972321
2-[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]propanoylamino]propanoic acid
CID 18238530
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 71350639
2-(2-aminoethylamino)propanamide
CID 20551229
N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide
CID 176992458
4-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[(2-acetamido-3-carboxypropanoyl)amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 155274334
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757084
(3S)-4-amino-3-[[(2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 88573174
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]propanoic acid
CID 18751384
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
2-[[2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 18500917
N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide
CID 88870162

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide (CID 126634892) is N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide is CC(NC(=O)C(CO)NC(=O)C(CO)NN)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide?
The InChIKey is AWTPRPICQYTCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O5/c1-4(7(10)17)12-8(18)5(2-15)13-9(19)6(3-16)14-11/h4-6,14-16H,2-3,11H2,1H3,(H2,10,17)(H,12,18)(H,13,19).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide?
N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide has a molecular weight of 277.28 g/mol, XLogP of -4.72, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-2-[(2-hydrazinyl-3-hydroxypropanoyl)amino]-3-hydroxypropanamide is sourced from PubChem (CID 126634892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).