(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide

C9H20N2O2 — CID 107571000

IUPAC(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
SMILESCCC[C@H](N)C(=O)N[C@@H](CC)CO
InChIInChI=1S/C9H20N2O2/c1-3-5-8(10)9(13)11-7(4-2)6-12/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)/t7-,8-/m0/s1
InChIKeyBFERBKVTHZNGTR-YUMQZZPRSA-N
MW188.27 g/mol
LogP0.00
Rot. Bonds6

About (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide

(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide (PubChem CID 107571000) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
PubChem CID107571000
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
SMILESCCC[C@H](N)C(=O)N[C@@H](CC)CO
InChIInChI=1S/C9H20N2O2/c1-3-5-8(10)9(13)11-7(4-2)6-12/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)/t7-,8-/m0/s1
InChIKeyBFERBKVTHZNGTR-YUMQZZPRSA-N
XLogP0.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375
(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
CID 107143870
(2S)-2-amino-N-hexan-3-ylpentanamide
CID 107569552
3-amino-4-[[(2S)-1-hydroxybutan-2-yl]amino]-4-oxobutanoic acid
CID 107222531
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775
2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314270
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
2-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pentanamide
CID 79249157
3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 62668866
(2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide
CID 106161059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide (CID 107571000) is (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide is CCC[C@H](N)C(=O)N[C@@H](CC)CO.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide?
The InChIKey is BFERBKVTHZNGTR-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-5-8(10)9(13)11-7(4-2)6-12/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide?
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide has a molecular weight of 188.27 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide is sourced from PubChem (CID 107571000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).