(2R)-2-(prop-2-ynoylamino)pentanoic acid

C8H11NO3 — CID 93252070

IUPAC(2R)-2-(prop-2-ynoylamino)pentanoic acid
SMILESC#CC(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C8H11NO3/c1-3-5-6(8(11)12)9-7(10)4-2/h2,6H,3,5H2,1H3,(H,9,10)(H,11,12)/t6-/m1/s1
InChIKeyBOOQAMOGFXGAFD-ZCFIWIBFSA-N
MW169.18 g/mol
LogP-0.01
Rot. Bonds4

About (2R)-2-(prop-2-ynoylamino)pentanoic acid

(2R)-2-(prop-2-ynoylamino)pentanoic acid (PubChem CID 93252070) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is (2R)-2-(prop-2-ynoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(prop-2-ynoylamino)pentanoic acid
PubChem CID93252070
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name(2R)-2-(prop-2-ynoylamino)pentanoic acid
SMILESC#CC(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C8H11NO3/c1-3-5-6(8(11)12)9-7(10)4-2/h2,6H,3,5H2,1H3,(H,9,10)(H,11,12)/t6-/m1/s1
InChIKeyBOOQAMOGFXGAFD-ZCFIWIBFSA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(prop-2-ynoylamino)hexanoic acid
CID 107144636
2-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 24704064
(2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid
CID 139939157
(2S)-2-(hex-1-yn-3-ylcarbamoylamino)pentanoic acid
CID 106232541
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
(2R)-2-(methylamino)pentanoic acid
CID 15677248
2-(prop-2-enoylamino)pentanoic acid
CID 18798141
(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
CID 107563339
(2R)-2-(2-methylprop-2-enoylamino)pentanoic acid
CID 102242630
dipotassium bis(N-(1-carboxybutyl)carbamodithioate)
CID 173417126
(2S)-2-(but-2-ynoylamino)hexanoic acid
CID 107987026

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(prop-2-ynoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(prop-2-ynoylamino)pentanoic acid (CID 93252070) is (2R)-2-(prop-2-ynoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(prop-2-ynoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(prop-2-ynoylamino)pentanoic acid is C#CC(=O)N[C@H](CCC)C(=O)O.
What is the InChIKey of (2R)-2-(prop-2-ynoylamino)pentanoic acid?
The InChIKey is BOOQAMOGFXGAFD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-5-6(8(11)12)9-7(10)4-2/h2,6H,3,5H2,1H3,(H,9,10)(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-(prop-2-ynoylamino)pentanoic acid?
(2R)-2-(prop-2-ynoylamino)pentanoic acid has a molecular weight of 169.18 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(prop-2-ynoylamino)pentanoic acid is sourced from PubChem (CID 93252070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).