(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide

C9H20N2O2 — CID 107218532

IUPAC(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N[C@H](C)CO
InChIInChI=1S/C9H20N2O2/c1-4-6(2)8(10)9(13)11-7(3)5-12/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)/t6?,7-,8+/m1/s1
InChIKeyVGKLBLHGDNHNNX-VVXQKDJTSA-N
MW188.27 g/mol
LogP-0.14
Rot. Bonds5

About (2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide

(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide (PubChem CID 107218532) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide
PubChem CID107218532
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N[C@H](C)CO
InChIInChI=1S/C9H20N2O2/c1-4-6(2)8(10)9(13)11-7(3)5-12/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)/t6?,7-,8+/m1/s1
InChIKeyVGKLBLHGDNHNNX-VVXQKDJTSA-N
XLogP-0.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
CID 61161973
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
CID 107222401
2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 119756305
(2S)-2-amino-N-heptan-2-yl-3-methylpentanamide
CID 61173881
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;dihydrochloride
CID 160584478
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide
CID 61246451
(2S,3S)-2-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylpentanamide
CID 103833178
2-amino-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 107219144
(2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472767
methyl 2-[(2-amino-3-methylpentanoyl)amino]butanoate
CID 119709055
(2S,3R)-2-amino-N-hydroxy-3-methylpentanamide
CID 129369774

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide (CID 107218532) is (2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)N[C@H](C)CO.
What is the InChIKey of (2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide?
The InChIKey is VGKLBLHGDNHNNX-VVXQKDJTSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-6(2)8(10)9(13)11-7(3)5-12/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)/t6?,7-,8+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide?
(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide has a molecular weight of 188.27 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide is sourced from PubChem (CID 107218532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).