(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid

C10H19N3O4 — CID 107566288

IUPAC(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NCCCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-2-4-7(9(15)16)13-10(17)12-6-3-5-8(11)14/h7H,2-6H2,1H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t7-/m0/s1
InChIKeyNEYGBHKKFRHUAA-ZETCQYMHSA-N
MW245.28 g/mol
LogP-0.20
Rot. Bonds8

About (2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid

(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid (PubChem CID 107566288) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
PubChem CID107566288
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NCCCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-2-4-7(9(15)16)13-10(17)12-6-3-5-8(11)14/h7H,2-6H2,1H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t7-/m0/s1
InChIKeyNEYGBHKKFRHUAA-ZETCQYMHSA-N
XLogP-0.20
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
2-[(5-amino-5-oxopentyl)carbamoylamino]hexanoic acid
CID 106239123
(2R)-5-amino-2-(hexylcarbamoylamino)-5-oxopentanoic acid
CID 107830921
(2S)-2-[(3-amino-3-oxopropyl)carbamoylamino]hexanoic acid
CID 107145514
5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid
CID 82943639
(2S)-5-amino-2-(3-aminopropylcarbamoylamino)-5-oxopentanoic acid
CID 62273655
(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 107831034
(2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid
CID 114006057
(2R)-5-amino-2-[3-(diethylamino)propylcarbamoylamino]-5-oxopentanoic acid
CID 107830495
5-amino-2-(3-ethylsulfanylpropylcarbamoylamino)-5-oxopentanoic acid
CID 114248323
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid (CID 107566288) is (2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid is CCC[C@H](NC(=O)NCCCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid?
The InChIKey is NEYGBHKKFRHUAA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-2-4-7(9(15)16)13-10(17)12-6-3-5-8(11)14/h7H,2-6H2,1H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t7-/m0/s1.
What are the key properties of (2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid?
(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.20, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).