(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid

C9H18N2O3 — CID 107564986

IUPAC(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C(C)NC)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-5-7(9(13)14)11-8(12)6(2)10-3/h6-7,10H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6?,7-/m1/s1
InChIKeyFUYWYCYSFKAFSK-COBSHVIPSA-N
MW202.25 g/mol
LogP-0.04
Rot. Bonds6

About (2R)-2-[2-(methylamino)propanoylamino]pentanoic acid

(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid (PubChem CID 107564986) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R)-2-[2-(methylamino)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
PubChem CID107564986
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C(C)NC)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-5-7(9(13)14)11-8(12)6(2)10-3/h6-7,10H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6?,7-/m1/s1
InChIKeyFUYWYCYSFKAFSK-COBSHVIPSA-N
XLogP-0.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]hexanoic acid
CID 139904392
(2S)-4-hydroxy-2-[2-(methylamino)propanoylamino]butanoic acid
CID 107824746
(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
CID 107563339
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
(2R)-2-(methylamino)pentanoic acid
CID 15677248
2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 54955762
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566458
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
(4Z)-4-ethylidene-N,5-dimethyl-2-[2-(methylamino)propanoylamino]octanamide
CID 166777670
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(methylamino)propanoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[2-(methylamino)propanoylamino]pentanoic acid (CID 107564986) is (2R)-2-[2-(methylamino)propanoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[2-(methylamino)propanoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[2-(methylamino)propanoylamino]pentanoic acid is CCC[C@@H](NC(=O)C(C)NC)C(=O)O.
What is the InChIKey of (2R)-2-[2-(methylamino)propanoylamino]pentanoic acid?
The InChIKey is FUYWYCYSFKAFSK-COBSHVIPSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-5-7(9(13)14)11-8(12)6(2)10-3/h6-7,10H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-[2-(methylamino)propanoylamino]pentanoic acid?
(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(methylamino)propanoylamino]pentanoic acid is sourced from PubChem (CID 107564986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).