2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid

C10H20N2O3 — CID 61470917

IUPAC2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
SMILESCCC(NC(=O)NC(C)C(=O)O)C(C)C
InChIInChI=1S/C10H20N2O3/c1-5-8(6(2)3)12-10(15)11-7(4)9(13)14/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)
InChIKeyRXDHRIMWADUOSU-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.19
Rot. Bonds5

About 2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid

2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid (PubChem CID 61470917) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
PubChem CID61470917
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
SMILESCCC(NC(=O)NC(C)C(=O)O)C(C)C
InChIInChI=1S/C10H20N2O3/c1-5-8(6(2)3)12-10(15)11-7(4)9(13)14/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)
InChIKeyRXDHRIMWADUOSU-UHFFFAOYSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 107826796
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048182
(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid
CID 107566471
2-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 54954839
3-methoxy-2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 81085452
(2S)-2-(2-methylpentan-3-ylcarbamoylamino)pentanedioic acid
CID 61471190
2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid
CID 65223057
1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 47481518
5-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 82848913
(2R)-2-(pent-1-yn-3-ylcarbamoylamino)propanoic acid
CID 106232347
2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 79800969

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid (CID 61470917) is 2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid is CCC(NC(=O)NC(C)C(=O)O)C(C)C.
What is the InChIKey of 2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid?
The InChIKey is RXDHRIMWADUOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-8(6(2)3)12-10(15)11-7(4)9(13)14/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid?
2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 61470917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).