(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide

C10H21N3O2 — CID 95262479

IUPAC(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
SMILESCCCNC(=O)[C@@H](NC(N)=O)[C@@H](C)CC
InChIInChI=1S/C10H21N3O2/c1-4-6-12-9(14)8(7(3)5-2)13-10(11)15/h7-8H,4-6H2,1-3H3,(H,12,14)(H3,11,13,15)/t7-,8-/m0/s1
InChIKeyZMSXQIBDFCXSIN-YUMQZZPRSA-N
MW215.30 g/mol
LogP0.60
Rot. Bonds6

About (2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide

(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide (PubChem CID 95262479) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
PubChem CID95262479
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
SMILESCCCNC(=O)[C@@H](NC(N)=O)[C@@H](C)CC
InChIInChI=1S/C10H21N3O2/c1-4-6-12-9(14)8(7(3)5-2)13-10(11)15/h7-8H,4-6H2,1-3H3,(H,12,14)(H3,11,13,15)/t7-,8-/m0/s1
InChIKeyZMSXQIBDFCXSIN-YUMQZZPRSA-N
XLogP0.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide
CID 115613559
2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 83029431
2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide
CID 107318472
6-[[2-(carbamoylamino)-3-methylpentanoyl]amino]hexanoic acid
CID 43352951
2-(carbamoylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103800836
propyl (2S,3S)-2-(carbamoylamino)-3-methylpentanoate
CID 97170653
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 2671676
N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide
CID 84873517
2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide
CID 78957691
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
(2R,3R)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(carbamoylamino)-3-methylpentanamide
CID 35860589

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide?
The IUPAC name of (2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide (CID 95262479) is (2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide.
What is the SMILES notation for (2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide?
The canonical SMILES for (2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide is CCCNC(=O)[C@@H](NC(N)=O)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide?
The InChIKey is ZMSXQIBDFCXSIN-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-4-6-12-9(14)8(7(3)5-2)13-10(11)15/h7-8H,4-6H2,1-3H3,(H,12,14)(H3,11,13,15)/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide?
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide has a molecular weight of 215.30 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide is sourced from PubChem (CID 95262479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).