4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid

C11H22N2O3 — CID 62213823

IUPAC4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid
SMILESCC(C)CN(CC(N)=O)C(C)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-8(2)6-13(7-10(12)14)9(3)4-5-11(15)16/h8-9H,4-7H2,1-3H3,(H2,12,14)(H,15,16)
InChIKeyRDOAXRXAWVLBDW-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.68
Rot. Bonds8

About 4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid

4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid (PubChem CID 62213823) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid
PubChem CID62213823
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid
SMILESCC(C)CN(CC(N)=O)C(C)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-8(2)6-13(7-10(12)14)9(3)4-5-11(15)16/h8-9H,4-7H2,1-3H3,(H2,12,14)(H,15,16)
InChIKeyRDOAXRXAWVLBDW-UHFFFAOYSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid
CID 65063808
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
acetylene;butanoic acid;methanamine;4-methylpentanoic acid
CID 170707206
4-(dioctylamino)pentanoic acid
CID 101313470
4-[di(henicosyl)amino]pentanoic acid
CID 101314309
4-[di(nonyl)amino]pentanoic acid
CID 101314069
4-[di(docosyl)amino]pentanoic acid
CID 101314329
2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pentanamide;hydrochloride
CID 119292364
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103224684
butanoic acid;2-methylpentane
CID 87252946
(4R)-4-(dimethylamino)pentanoic acid
CID 92669584
4-(dimethylamino)pentanoic acid
CID 18442969

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid?
The IUPAC name of 4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid (CID 62213823) is 4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid is CC(C)CN(CC(N)=O)C(C)CCC(=O)O.
What is the InChIKey of 4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid?
The InChIKey is RDOAXRXAWVLBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)6-13(7-10(12)14)9(3)4-5-11(15)16/h8-9H,4-7H2,1-3H3,(H2,12,14)(H,15,16).
What are the key properties of 4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid?
4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]pentanoic acid is sourced from PubChem (CID 62213823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).