(2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid

C9H18N4O3 — CID 54548287

IUPAC(2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid
SMILESN[C@@H](CCCNNC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C9H18N4O3/c10-7(8(14)15)2-1-5-11-13-9(16)12-6-3-4-6/h6-7,11H,1-5,10H2,(H,14,15)(H2,12,13,16)/t7-/m0/s1
InChIKeyZICQDWSVJJSGBO-ZETCQYMHSA-N
MW230.27 g/mol
LogP-0.86
Rot. Bonds7

About (2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid

(2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid (PubChem CID 54548287) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is (2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid
PubChem CID54548287
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name(2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid
SMILESN[C@@H](CCCNNC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C9H18N4O3/c10-7(8(14)15)2-1-5-11-13-9(16)12-6-3-4-6/h6-7,11H,1-5,10H2,(H,14,15)(H2,12,13,16)/t7-/m0/s1
InChIKeyZICQDWSVJJSGBO-ZETCQYMHSA-N
XLogP-0.86
TPSA116.48 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[2-[2-(cyclopropylcarbamoyl)hydrazinyl]hydrazinyl]butanoic acid
CID 54290737
2-amino-6-(cyclopropylamino)hexanoic acid
CID 67330601
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
2-amino-3-[10-(cyclopropylcarbamoylamino)decylsulfanyl]propanoic acid
CID 110184817
2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid
CID 90742883
2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2S)-2-amino-5-[[amino(hydroxy)methyl]amino]pentanoic acid
CID 118054974
2-amino-3-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385362
2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 60930107
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
N-[(4S)-4-amino-4-carboxybutyl]carbamate
CID 153456088

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid (CID 54548287) is (2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid is N[C@@H](CCCNNC(=O)NC1CC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid?
The InChIKey is ZICQDWSVJJSGBO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N4O3/c10-7(8(14)15)2-1-5-11-13-9(16)12-6-3-4-6/h6-7,11H,1-5,10H2,(H,14,15)(H2,12,13,16)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid?
(2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid has a molecular weight of 230.27 g/mol, XLogP of -0.86, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid is sourced from PubChem (CID 54548287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).