cis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid

C7H14BNO3 — CID 58845534

IUPACcis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid
SMILESCB(O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C7H14BNO3/c1-8(12)9-6-3-2-5(4-6)7(10)11/h5-6,9,12H,2-4H2,1H3,(H,10,11)/t5-,6+/m0/s1
InChIKeyMZQULWAFAXSAJD-NTSWFWBYSA-N
MW171.00 g/mol
LogP-0.06
Rot. Bonds3

About cis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 58845534) has the molecular formula C7H14BNO3 and a molecular weight of 171.00 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid
PubChem CID58845534
Molecular FormulaC7H14BNO3
Molecular Weight171.00 g/mol
Exact Mass171.11
IUPAC Namecis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid
SMILESCB(O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C7H14BNO3/c1-8(12)9-6-3-2-5(4-6)7(10)11/h5-6,9,12H,2-4H2,1H3,(H,10,11)/t5-,6+/m0/s1
InChIKeyMZQULWAFAXSAJD-NTSWFWBYSA-N
XLogP-0.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.00
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl-N-[(1S,3R)-3-methylcyclopentyl]boronamidic acid
CID 58845539
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
3-(cyclopentylamino)cyclopentane-1-carboxylic acid
CID 82933431
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032739
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid (CID 58845534) is cis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid is CB(O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MZQULWAFAXSAJD-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H14BNO3/c1-8(12)9-6-3-2-5(4-6)7(10)11/h5-6,9,12H,2-4H2,1H3,(H,10,11)/t5-,6+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 171.00 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[hydroxy(methyl)boranyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 58845534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).