[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium

C7H14N2O3P+ — CID 175846430

IUPAC[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium
SMILESCCNC(=O)CC[C@H](N)C(=O)[PH+]=O
InChIInChI=1S/C7H13N2O3P/c1-2-9-6(10)4-3-5(8)7(11)13-12/h5H,2-4,8H2,1H3,(H,9,10)/p+1/t5-/m0/s1
InChIKeyCZCXWKYMEMGMIQ-YFKPBYRVSA-O
MW205.17 g/mol
LogP-0.22
Rot. Bonds6

About [(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium

[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium (PubChem CID 175846430) has the molecular formula C7H14N2O3P+ and a molecular weight of 205.17 g/mol. Its IUPAC name is [(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium.

Molecular Properties

Compound Name[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium
PubChem CID175846430
Molecular FormulaC7H14N2O3P+
Molecular Weight205.17 g/mol
Exact Mass205.07
IUPAC Name[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium
SMILESCCNC(=O)CC[C@H](N)C(=O)[PH+]=O
InChIInChI=1S/C7H13N2O3P/c1-2-9-6(10)4-3-5(8)7(11)13-12/h5H,2-4,8H2,1H3,(H,9,10)/p+1/t5-/m0/s1
InChIKeyCZCXWKYMEMGMIQ-YFKPBYRVSA-O
XLogP-0.22
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 71815737
copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate
CID 174824189
2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane
CID 175078520
(2S)-5-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 87920148
(2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 90954445
benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 141344098
[2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate
CID 87104795
(2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide
CID 104909009
N,N'-diethylnonanediamide
CID 89048639
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327
2-acetamido-5-(ethylamino)-5-oxopentanoic acid
CID 158833796

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium?
The IUPAC name of [(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium (CID 175846430) is [(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium.
What is the SMILES notation for [(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium?
The canonical SMILES for [(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium is CCNC(=O)CC[C@H](N)C(=O)[PH+]=O.
What is the InChIKey of [(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium?
The InChIKey is CZCXWKYMEMGMIQ-YFKPBYRVSA-O. The full InChI is InChI=1S/C7H13N2O3P/c1-2-9-6(10)4-3-5(8)7(11)13-12/h5H,2-4,8H2,1H3,(H,9,10)/p+1/t5-/m0/s1.
What are the key properties of [(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium?
[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium has a molecular weight of 205.17 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium is sourced from PubChem (CID 175846430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).