5-amino-4-oxopentanoic acid;pentanoic acid

C10H19NO5 — CID 50943307

IUPAC5-amino-4-oxopentanoic acid;pentanoic acid
SMILESCCCCC(=O)O.NCC(=O)CCC(=O)O
InChIInChI=1S/C5H9NO3.C5H10O2/c6-3-4(7)1-2-5(8)9;1-2-3-4-5(6)7/h1-3,6H2,(H,8,9);2-4H2,1H3,(H,6,7)
InChIKeyNLMIPBIGDQSGLM-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.64
Rot. Bonds7

About 5-amino-4-oxopentanoic acid;pentanoic acid

5-amino-4-oxopentanoic acid;pentanoic acid (PubChem CID 50943307) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 5-amino-4-oxopentanoic acid;pentanoic acid.

Molecular Properties

Compound Name5-amino-4-oxopentanoic acid;pentanoic acid
PubChem CID50943307
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name5-amino-4-oxopentanoic acid;pentanoic acid
SMILESCCCCC(=O)O.NCC(=O)CCC(=O)O
InChIInChI=1S/C5H9NO3.C5H10O2/c6-3-4(7)1-2-5(8)9;1-2-3-4-5(6)7/h1-3,6H2,(H,8,9);2-4H2,1H3,(H,6,7)
InChIKeyNLMIPBIGDQSGLM-UHFFFAOYSA-N
XLogP0.64
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(15N)azanyl-4-oxopentanoic acid
CID 11018904
4,7-dioxoundecanoic acid
CID 165359282
8-amino-4,7-dioxooctanoic acid
CID 161356163
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
pentanoic acid;stannane
CID 173249748
pentanoic acid;urea;hydrochloride
CID 174794672
icosane;pentanoic acid
CID 159151393
acetic acid;pentanoic acid
CID 87061456
CID 174614333
CID 174614333

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-oxopentanoic acid;pentanoic acid?
The IUPAC name of 5-amino-4-oxopentanoic acid;pentanoic acid (CID 50943307) is 5-amino-4-oxopentanoic acid;pentanoic acid.
What is the SMILES notation for 5-amino-4-oxopentanoic acid;pentanoic acid?
The canonical SMILES for 5-amino-4-oxopentanoic acid;pentanoic acid is CCCCC(=O)O.NCC(=O)CCC(=O)O.
What is the InChIKey of 5-amino-4-oxopentanoic acid;pentanoic acid?
The InChIKey is NLMIPBIGDQSGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.C5H10O2/c6-3-4(7)1-2-5(8)9;1-2-3-4-5(6)7/h1-3,6H2,(H,8,9);2-4H2,1H3,(H,6,7).
What are the key properties of 5-amino-4-oxopentanoic acid;pentanoic acid?
5-amino-4-oxopentanoic acid;pentanoic acid has a molecular weight of 233.26 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-oxopentanoic acid;pentanoic acid is sourced from PubChem (CID 50943307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).