2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane

C10H19ClN2O4 — CID 175078520

IUPAC2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane
SMILESCC1OC1Cl.CCNC(=O)CCC(N)C(=O)O
InChIInChI=1S/C7H14N2O3.C3H5ClO/c1-2-9-6(10)4-3-5(8)7(11)12;1-2-3(4)5-2/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12);2-3H,1H3
InChIKeyAGTFWPYPKDNBEU-UHFFFAOYSA-N
MW266.72 g/mol
LogP0.28
Rot. Bonds5

About 2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane

2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane (PubChem CID 175078520) has the molecular formula C10H19ClN2O4 and a molecular weight of 266.72 g/mol. Its IUPAC name is 2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane.

Molecular Properties

Compound Name2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane
PubChem CID175078520
Molecular FormulaC10H19ClN2O4
Molecular Weight266.72 g/mol
Exact Mass266.10
IUPAC Name2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane
SMILESCC1OC1Cl.CCNC(=O)CCC(N)C(=O)O
InChIInChI=1S/C7H14N2O3.C3H5ClO/c1-2-9-6(10)4-3-5(8)7(11)12;1-2-3(4)5-2/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12);2-3H,1H3
InChIKeyAGTFWPYPKDNBEU-UHFFFAOYSA-N
XLogP0.28
TPSA104.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate
CID 174824189
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327
ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 71815737
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium
CID 175846430
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
(2S)-4-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 90954445
(2S)-5-amino-2-[[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 87920148
(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid
CID 22152590
magnesium bis(3-[[(4S)-4-amino-4-carboxybutanoyl]amino]propanoate)
CID 139643109

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane?
The IUPAC name of 2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane (CID 175078520) is 2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane.
What is the SMILES notation for 2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane?
The canonical SMILES for 2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane is CC1OC1Cl.CCNC(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane?
The InChIKey is AGTFWPYPKDNBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3.C3H5ClO/c1-2-9-6(10)4-3-5(8)7(11)12;1-2-3(4)5-2/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12);2-3H,1H3.
What are the key properties of 2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane?
2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane has a molecular weight of 266.72 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(ethylamino)-5-oxopentanoic acid;2-chloro-3-methyloxirane is sourced from PubChem (CID 175078520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).