(2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid

C11H21N3O4 — CID 106238604

IUPAC(2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)NCCCCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-7(2)9(10(16)17)14-11(18)13-6-4-3-5-8(12)15/h7,9H,3-6H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t9-/m1/s1
InChIKeyANFOICPCKYJJGE-SECBINFHSA-N
MW259.31 g/mol
LogP0.05
Rot. Bonds8

About (2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid

(2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid (PubChem CID 106238604) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid
PubChem CID106238604
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)NCCCCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-7(2)9(10(16)17)14-11(18)13-6-4-3-5-8(12)15/h7,9H,3-6H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t9-/m1/s1
InChIKeyANFOICPCKYJJGE-SECBINFHSA-N
XLogP0.05
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.05
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

(2S)-2-(3-aminopropylcarbamoylamino)-3-methylbutanoic acid
CID 62275364
(2R)-3-methyl-2-(7-methyloctylcarbamoylamino)butanoic acid
CID 107817217
(2S)-3-methyl-2-[3-(methylamino)propylcarbamoylamino]butanoic acid
CID 61404306
(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 30071784
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 30071787
(2S)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 114162518
(2R)-2-(4-methoxybutylcarbamoylamino)-3-methylbutanoic acid
CID 79009826
(2R)-3-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)butanoic acid
CID 115521453
(2R)-2-[3-(ethylamino)propylcarbamoylamino]-3-methylbutanoic acid
CID 79010343
(2R)-2-(3-methoxypropylcarbamoylamino)-3-methylbutanoic acid
CID 79009625
(2S)-2-[3-(cyclopropylamino)propylcarbamoylamino]-3-methylbutanoic acid
CID 61408013
2-[(5-amino-5-oxopentyl)carbamoylamino]hexanoic acid
CID 106239123

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid (CID 106238604) is (2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)NCCCCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid?
The InChIKey is ANFOICPCKYJJGE-SECBINFHSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-7(2)9(10(16)17)14-11(18)13-6-4-3-5-8(12)15/h7,9H,3-6H2,1-2H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid?
(2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.05, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-amino-5-oxopentyl)carbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 106238604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).