(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide

C11H23N3O2 — CID 35138595

IUPAC(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)[C@H](NC(N)=O)C(C)C
InChIInChI=1S/C11H23N3O2/c1-7(2)5-6-13-10(15)9(8(3)4)14-11(12)16/h7-9H,5-6H2,1-4H3,(H,13,15)(H3,12,14,16)/t9-/m1/s1
InChIKeyLCPUWYQMMKRPFM-SECBINFHSA-N
MW229.32 g/mol
LogP0.84
Rot. Bonds6

About (2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide

(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide (PubChem CID 35138595) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
PubChem CID35138595
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)[C@H](NC(N)=O)C(C)C
InChIInChI=1S/C11H23N3O2/c1-7(2)5-6-13-10(15)9(8(3)4)14-11(12)16/h7-9H,5-6H2,1-4H3,(H,13,15)(H3,12,14,16)/t9-/m1/s1
InChIKeyLCPUWYQMMKRPFM-SECBINFHSA-N
XLogP0.84
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-3-methyl-N-(3-methylbutyl)butanamide
CID 78784334
2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106843387
2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
CID 65312871
2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide
CID 60636446
(3S,4S)-4-amino-3-hydroxy-6-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]heptanamide
CID 90663255
[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea
CID 91973991
2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
CID 113258390
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide
CID 113341041
2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide
CID 104981125
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479
(2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide
CID 141214116
2-(carbamoylamino)-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 3934919

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide (CID 35138595) is (2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide is CC(C)CCNC(=O)[C@H](NC(N)=O)C(C)C.
What is the InChIKey of (2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide?
The InChIKey is LCPUWYQMMKRPFM-SECBINFHSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-7(2)5-6-13-10(15)9(8(3)4)14-11(12)16/h7-9H,5-6H2,1-4H3,(H,13,15)(H3,12,14,16)/t9-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide?
(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide has a molecular weight of 229.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 35138595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).