(2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid

C10H18N2O3 — CID 107567629

IUPAC(2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid
SMILESC=CC(C)NC(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-4-6-8(9(13)14)12-10(15)11-7(3)5-2/h5,7-8H,2,4,6H2,1,3H3,(H,13,14)(H2,11,12,15)/t7?,8-/m1/s1
InChIKeyANRUTJZBIKKREB-BRFYHDHCSA-N
MW214.26 g/mol
LogP1.11
Rot. Bonds6

About (2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid

(2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid (PubChem CID 107567629) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid
PubChem CID107567629
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid
SMILESC=CC(C)NC(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-4-6-8(9(13)14)12-10(15)11-7(3)5-2/h5,7-8H,2,4,6H2,1,3H3,(H,13,14)(H2,11,12,15)/t7?,8-/m1/s1
InChIKeyANRUTJZBIKKREB-BRFYHDHCSA-N
XLogP1.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
2-(prop-2-enoylamino)pentanoic acid
CID 18798141
(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid
CID 107566471
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
CID 107566492
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566458
2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 54955762
(2S)-2-(but-3-en-2-ylcarbamoylamino)-3-methylpentanoic acid
CID 104864756
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600
(2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566462
2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
CID 61198675
(2R)-2-(2-methylprop-2-enoylamino)pentanoic acid
CID 102242630
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid (CID 107567629) is (2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid is C=CC(C)NC(=O)N[C@H](CCC)C(=O)O.
What is the InChIKey of (2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is ANRUTJZBIKKREB-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-6-8(9(13)14)12-10(15)11-7(3)5-2/h5,7-8H,2,4,6H2,1,3H3,(H,13,14)(H2,11,12,15)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid?
(2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107567629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).