(2S)-2-(carbamoylamino)-3,3-dimethylbutanamide

C7H15N3O2 — CID 130628762

IUPAC(2S)-2-(carbamoylamino)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](NC(N)=O)C(N)=O
InChIInChI=1S/C7H15N3O2/c1-7(2,3)4(5(8)11)10-6(9)12/h4H,1-3H3,(H2,8,11)(H3,9,10,12)/t4-/m1/s1
InChIKeyPDUZWRMWNWRBQI-SCSAIBSYSA-N
MW173.22 g/mol
LogP-0.45
Rot. Bonds2

About (2S)-2-(carbamoylamino)-3,3-dimethylbutanamide

(2S)-2-(carbamoylamino)-3,3-dimethylbutanamide (PubChem CID 130628762) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-3,3-dimethylbutanamide
PubChem CID130628762
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name(2S)-2-(carbamoylamino)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](NC(N)=O)C(N)=O
InChIInChI=1S/C7H15N3O2/c1-7(2,3)4(5(8)11)10-6(9)12/h4H,1-3H3,(H2,8,11)(H3,9,10,12)/t4-/m1/s1
InChIKeyPDUZWRMWNWRBQI-SCSAIBSYSA-N
XLogP-0.45
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88576811
2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide
CID 119320423
2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride
CID 119320432
(2S)-2-[2-(carbamoylamino)ethylamino]-3,3-dimethylbutanamide;hydrochloride
CID 87213115
3,3-dimethyl-2-(propylamino)butanamide
CID 61325789
[1-(dimethylamino)-2,2-dimethylpropyl]urea
CID 88507082
2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide
CID 119778156
2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide
CID 119778141
2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride
CID 119778151
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride
CID 119320424
3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 119778147
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-3,3-dimethylbutanamide (CID 130628762) is (2S)-2-(carbamoylamino)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-3,3-dimethylbutanamide is CC(C)(C)[C@H](NC(N)=O)C(N)=O.
What is the InChIKey of (2S)-2-(carbamoylamino)-3,3-dimethylbutanamide?
The InChIKey is PDUZWRMWNWRBQI-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-7(2,3)4(5(8)11)10-6(9)12/h4H,1-3H3,(H2,8,11)(H3,9,10,12)/t4-/m1/s1.
What are the key properties of (2S)-2-(carbamoylamino)-3,3-dimethylbutanamide?
(2S)-2-(carbamoylamino)-3,3-dimethylbutanamide has a molecular weight of 173.22 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-3,3-dimethylbutanamide is sourced from PubChem (CID 130628762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).