2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide

C10H21N3O3 — CID 83029431

IUPAC2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NC[C@H](C)O
InChIInChI=1S/C10H21N3O3/c1-4-6(2)8(13-10(11)16)9(15)12-5-7(3)14/h6-8,14H,4-5H2,1-3H3,(H,12,15)(H3,11,13,16)/t6?,7-,8?/m0/s1
InChIKeySNQXIWDKLZGBMW-WTIBDHCWSA-N
MW231.30 g/mol
LogP-0.43
Rot. Bonds6

About 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide

2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide (PubChem CID 83029431) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
PubChem CID83029431
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NC[C@H](C)O
InChIInChI=1S/C10H21N3O3/c1-4-6(2)8(13-10(11)16)9(15)12-5-7(3)14/h6-8,14H,4-5H2,1-3H3,(H,12,15)(H3,11,13,16)/t6?,7-,8?/m0/s1
InChIKeySNQXIWDKLZGBMW-WTIBDHCWSA-N
XLogP-0.43
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide
CID 115613559
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479
2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide
CID 107318472
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
6-[[2-(carbamoylamino)-3-methylpentanoyl]amino]hexanoic acid
CID 43352951
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 2671676
N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide
CID 84873517
2-(carbamoylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103800836
2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide
CID 78957691
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
1-[[[2-(carbamoylamino)-3-methylpentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445099
propyl (2S,3S)-2-(carbamoylamino)-3-methylpentanoate
CID 97170653

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide (CID 83029431) is 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide is CCC(C)C(NC(N)=O)C(=O)NC[C@H](C)O.
What is the InChIKey of 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide?
The InChIKey is SNQXIWDKLZGBMW-WTIBDHCWSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-4-6(2)8(13-10(11)16)9(15)12-5-7(3)14/h6-8,14H,4-5H2,1-3H3,(H,12,15)(H3,11,13,16)/t6?,7-,8?/m0/s1.
What are the key properties of 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide?
2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide has a molecular weight of 231.30 g/mol, XLogP of -0.43, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide is sourced from PubChem (CID 83029431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).