(2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid

C9H18N2O3 — CID 139085112

IUPAC(2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid
SMILESCC[C@@H](C)[C@@H](NCCC(N)=O)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-6(2)8(9(13)14)11-5-4-7(10)12/h6,8,11H,3-5H2,1-2H3,(H2,10,12)(H,13,14)/t6-,8-/m1/s1
InChIKeyUKMDJCQQYKHZCG-HTRCEHHLSA-N
MW202.25 g/mol
LogP-0.05
Rot. Bonds7

About (2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid

(2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid (PubChem CID 139085112) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid
PubChem CID139085112
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid
SMILESCC[C@@H](C)[C@@H](NCCC(N)=O)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-6(2)8(9(13)14)11-5-4-7(10)12/h6,8,11H,3-5H2,1-2H3,(H2,10,12)(H,13,14)/t6-,8-/m1/s1
InChIKeyUKMDJCQQYKHZCG-HTRCEHHLSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid?
The IUPAC name of (2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid (CID 139085112) is (2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for (2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid?
The canonical SMILES for (2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid is CC[C@@H](C)[C@@H](NCCC(N)=O)C(=O)O.
What is the InChIKey of (2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid?
The InChIKey is UKMDJCQQYKHZCG-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-6(2)8(9(13)14)11-5-4-7(10)12/h6,8,11H,3-5H2,1-2H3,(H2,10,12)(H,13,14)/t6-,8-/m1/s1.
What are the key properties of (2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid?
(2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(3-amino-3-oxopropyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 139085112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).