(2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide

C9H21N2O2P — CID 59038627

IUPAC(2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide
SMILESCCC(OP)[C@H](CC)NC(=O)[C@H](C)N
InChIInChI=1S/C9H21N2O2P/c1-4-7(8(5-2)13-14)11-9(12)6(3)10/h6-8H,4-5,10,14H2,1-3H3,(H,11,12)/t6-,7-,8?/m0/s1
InChIKeyMLTZYYQNANWOHF-WPZUCAASSA-N
MW220.25 g/mol
LogP0.81
Rot. Bonds6

About (2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide

(2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide (PubChem CID 59038627) has the molecular formula C9H21N2O2P and a molecular weight of 220.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide
PubChem CID59038627
Molecular FormulaC9H21N2O2P
Molecular Weight220.25 g/mol
Exact Mass220.13
IUPAC Name(2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide
SMILESCCC(OP)[C@H](CC)NC(=O)[C@H](C)N
InChIInChI=1S/C9H21N2O2P/c1-4-7(8(5-2)13-14)11-9(12)6(3)10/h6-8H,4-5,10,14H2,1-3H3,(H,11,12)/t6-,7-,8?/m0/s1
InChIKeyMLTZYYQNANWOHF-WPZUCAASSA-N
XLogP0.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(4-phosphanyloxyhexan-3-yl)acetamide
CID 176611194
(3R,4R,5R)-3-[[(2S)-2-aminopropanoyl]amino]-4,5-dimethylheptanoic acid
CID 87609587
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
1-[[(2R)-2-aminopropanoyl]amino]propylphosphonic acid
CID 11820419
(2S,3S)-2-amino-3-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472767
methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
CID 61146510
(2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide
CID 22819051
(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide
CID 123756071
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802
(2R)-2-amino-N-(1-ethoxypropan-2-yl)propanamide
CID 78977149
(2S)-2-amino-N-(1,3-diaminopropan-2-yl)propanamide
CID 131850934
2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide (CID 59038627) is (2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide is CCC(OP)[C@H](CC)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide?
The InChIKey is MLTZYYQNANWOHF-WPZUCAASSA-N. The full InChI is InChI=1S/C9H21N2O2P/c1-4-7(8(5-2)13-14)11-9(12)6(3)10/h6-8H,4-5,10,14H2,1-3H3,(H,11,12)/t6-,7-,8?/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide?
(2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide has a molecular weight of 220.25 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide is sourced from PubChem (CID 59038627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).