(2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide

C14H29N3O3 — CID 106148305

IUPAC(2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)CCCO
InChIInChI=1S/C14H29N3O3/c1-10(2)12(15)13(20)16-8-11(19)17-9-14(3,4)6-5-7-18/h10,12,18H,5-9,15H2,1-4H3,(H,16,20)(H,17,19)/t12-/m0/s1
InChIKeyHORBKHKGERIHTN-LBPRGKRZSA-N
MW287.40 g/mol
LogP0.00
Rot. Bonds9

About (2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 106148305) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID106148305
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name(2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)CCCO
InChIInChI=1S/C14H29N3O3/c1-10(2)12(15)13(20)16-8-11(19)17-9-14(3,4)6-5-7-18/h10,12,18H,5-9,15H2,1-4H3,(H,16,20)(H,17,19)/t12-/m0/s1
InChIKeyHORBKHKGERIHTN-LBPRGKRZSA-N
XLogP0.00
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148250
N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 103899932
(2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide
CID 114150116
(2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82962399
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148100
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-2-sulfanylbutanamide
CID 106149644
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide
CID 106148146
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
(2S)-2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 107852819
N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide
CID 103899872

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide (CID 106148305) is (2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)CCCO.
What is the InChIKey of (2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is HORBKHKGERIHTN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-10(2)12(15)13(20)16-8-11(19)17-9-14(3,4)6-5-7-18/h10,12,18H,5-9,15H2,1-4H3,(H,16,20)(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 287.40 g/mol, XLogP of 0.00, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 106148305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).