(2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide

C12H26N2O2 — CID 61158175

IUPAC(2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide
SMILESCC(C)N(CCCO)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)14(7-6-8-15)11(16)10(13)12(3,4)5/h9-10,15H,6-8,13H2,1-5H3/t10-/m1/s1
InChIKeyAIKQLIAZXQXDDN-SNVBAGLBSA-N
MW230.35 g/mol
LogP0.98
Rot. Bonds5

About (2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide

(2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide (PubChem CID 61158175) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide
PubChem CID61158175
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide
SMILESCC(C)N(CCCO)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)14(7-6-8-15)11(16)10(13)12(3,4)5/h9-10,15H,6-8,13H2,1-5H3/t10-/m1/s1
InChIKeyAIKQLIAZXQXDDN-SNVBAGLBSA-N
XLogP0.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-3,3-dimethylbutanoyl)-propan-2-ylamino]butanoic acid
CID 76894241
N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide
CID 61040005
ethyl 2-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537917
(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
CID 104861744
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 103929257
1-(3-hydroxypropyl)-1-propan-2-ylurea
CID 61040269
(2R)-2-amino-N-ethyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 103929214
2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 76893980
5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934926
3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol
CID 62623197
3-(tert-butylamino)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 54916197
3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide
CID 79630977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide (CID 61158175) is (2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide is CC(C)N(CCCO)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide?
The InChIKey is AIKQLIAZXQXDDN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)14(7-6-8-15)11(16)10(13)12(3,4)5/h9-10,15H,6-8,13H2,1-5H3/t10-/m1/s1.
What are the key properties of (2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide?
(2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 61158175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).