4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid

C12H22N2O3 — CID 64890891

IUPAC4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid
SMILESCC(C)N(CC1CC1)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)14(7-9-3-4-9)12(17)10(13)5-6-11(15)16/h8-10H,3-7,13H2,1-2H3,(H,15,16)
InChIKeyDOXIFQGYIXCCLI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.83
Rot. Bonds7

About 4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid

4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid (PubChem CID 64890891) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid
PubChem CID64890891
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid
SMILESCC(C)N(CC1CC1)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)14(7-9-3-4-9)12(17)10(13)5-6-11(15)16/h8-10H,3-7,13H2,1-2H3,(H,15,16)
InChIKeyDOXIFQGYIXCCLI-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide
CID 104903331
4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 64896188
6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide
CID 65291353
4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid
CID 64895995
4-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 62213989
4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
CID 55000266
3-[cyclopropylmethyl(propan-2-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821381
4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid
CID 64889930
4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid
CID 64894822
2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869519
(2R)-5-amino-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830747
2-amino-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylbutanamide
CID 77143929

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid (CID 64890891) is 4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid is CC(C)N(CC1CC1)C(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is DOXIFQGYIXCCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)14(7-9-3-4-9)12(17)10(13)5-6-11(15)16/h8-10H,3-7,13H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid?
4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64890891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).